Substructure RTECS

Since systematic chemical name fragments and molecular formula fragments are also found in the RTECS file, one can use CHEMLINE nomenclatural output to perform a substructure search that is correlated with a biological concept in RTECS. This would obviate the need to carry the chemical identifiers for the forty CHEMLINE records into the RTECS file. 

The National Library of Medicine s (NIH) on-line chemical dictionary file (CHEMLINE) is primarily used to enhance the retrieval of bibliographic Information associated with chemical substances. This discussion demonstrates the utility of CHEMLINE as a mechanism to link chemical substructures to biological data. Search techniques are developed to Integrate classes of structurally related chemicals with toxicity data and information contained in on-line retrieval files such as the Registry of Toxic Effects of Chemical Substances (RTECS) and TOXLINE. 

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